#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtg n VAL 2 N 0.00 1.84 0.00 2.03 0.31 -1.26 -4.91 118.33 116.35 2jtg n VAL 2 Ca 0.00 -1.87 0.00 0.00 -0.01 0.00 0.00 64.34 62.46 2jtg n VAL 2 Cb 0.00 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 2jtg n VAL 2 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jtg n GLN 3 N -0.84 0.00 -3.13 5.55 -0.06 -1.26 -4.59 117.38 113.05 2jtg n GLN 3 Ca 0.16 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.96 2jtg n GLN 3 Cb 0.66 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.85 2jtg n GLN 3 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2jtg s SER 4 N 0.00 5.75 0.25 1.69 1.04 -1.26 -4.37 113.70 116.80 2jtg s SER 4 Ca 0.00 -0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.29 2jtg s SER 4 Cb 0.00 -1.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.02 2jtg s SER 4 CO 0.00 -0.68 0.13 0.00 0.98 0.00 0.00 173.24 173.67 2jtg h SER 6 N 2.44 0.45 -0.80 0.00 0.87 -1.66 -3.47 113.55 111.39 2jtg h SER 6 Ca -0.36 -0.78 -0.65 0.00 -1.23 0.00 0.00 61.79 58.77 2jtg h SER 6 Cb 1.25 -0.14 0.03 0.00 -0.44 0.00 0.00 62.40 63.10 2jtg h SER 6 CO 0.55 1.17 0.16 0.00 -0.53 0.00 0.00 176.83 178.18 2jtg n ALA 7 N -2.58 -2.60 -1.68 6.23 0.00 -1.26 -4.76 120.51 113.86 2jtg n ALA 7 Ca -0.10 0.46 -0.45 0.00 0.00 0.00 0.00 53.44 53.35 2jtg n ALA 7 Cb 0.64 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2jtg n ALA 7 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2jtg n TYR 8 N 1.63 2.43 -4.22 0.00 9.36 -1.26 -2.37 117.16 122.73 2jtg n TYR 8 Ca 0.18 0.11 -0.32 0.00 3.32 0.00 0.00 57.90 61.20 2jtg n TYR 8 Cb 0.04 -2.62 -0.06 0.00 -0.63 0.00 0.00 39.34 36.07 2jtg n TYR 8 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2jtg n GLY 9 N 3.80 -0.25 3.77 2.98 0.00 -1.26 -4.90 105.19 109.33 2jtg n GLY 9 Ca 0.18 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 2jtg n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtg n LYS 11 N -3.01 4.20 -0.70 0.00 3.00 -1.26 -5.02 118.16 115.37 2jtg n LYS 11 Ca 0.09 -3.05 -0.32 0.00 -0.00 0.00 0.00 58.31 55.03 2jtg n LYS 11 Cb 0.53 -2.12 0.16 0.00 0.00 0.00 0.00 35.03 33.60 2jtg n LYS 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2jtg n ASN 12 N 0.21 -1.85 0.00 3.14 6.94 -1.26 -5.05 115.26 117.40 2jtg n ASN 12 Ca 0.26 0.13 0.00 0.00 -0.02 0.00 0.00 54.58 54.94 2jtg n ASN 12 Cb 1.09 -1.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 2jtg n ASN 12 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2jtg n ARG 13 N -2.55 0.00 -2.62 -3.83 1.85 -1.26 -4.72 116.66 103.53 2jtg n ARG 13 Ca 0.05 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.47 2jtg n ARG 13 Cb 0.56 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.97 2jtg n ARG 13 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2jtg s TYR 14 N 0.00 2.83 0.22 2.89 6.14 -1.26 -4.68 117.35 123.48 2jtg s TYR 14 Ca 0.00 -1.57 0.08 0.00 0.64 0.00 0.00 57.07 56.22 2jtg s TYR 14 Cb 0.00 -4.70 -0.04 0.00 0.42 0.00 0.00 41.96 37.64 2jtg s TYR 14 CO 0.00 -1.78 0.00 0.34 0.64 0.00 0.00 175.55 174.75 2jtg s ASP 15 N 4.18 4.66 0.52 4.32 -1.08 -1.26 -4.46 116.67 123.55 2jtg s ASP 15 Ca 0.51 -0.52 0.22 0.00 -0.52 0.00 0.00 52.55 52.24 2jtg s ASP 15 Cb 0.03 -0.93 1.37 0.00 -1.46 0.00 0.00 42.92 41.93 2jtg s ASP 15 CO 0.05 0.04 2.11 0.07 0.52 0.00 0.00 175.17 177.96 2jtg h LYS 16 N 2.28 0.00 0.00 4.34 2.10 -2.01 -3.07 116.57 120.21 2jtg h LYS 16 Ca -0.46 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.16 2jtg h LYS 16 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 2jtg h LYS 16 CO 0.59 0.08 -0.31 -0.44 -2.00 0.00 0.00 179.45 177.37 2jtg h ASP 17 N 0.00 0.00 -2.38 7.07 3.32 -1.97 -3.44 116.42 119.03 2jtg h ASP 17 Ca -0.00 -0.30 -0.57 0.00 0.02 0.00 0.00 57.03 56.17 2jtg h ASP 17 Cb 0.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2jtg h ASP 17 CO 0.01 0.82 1.37 -0.75 -1.72 0.00 0.00 179.24 178.97 2jtg s LYS 18 N -1.99 3.20 0.00 3.56 2.47 -1.16 -4.85 119.74 120.97 2jtg s LYS 18 Ca -0.12 1.61 0.00 0.00 -1.56 0.00 0.00 55.97 55.90 2jtg s LYS 18 Cb 0.01 -4.28 0.00 0.00 -1.46 0.00 0.00 37.83 32.10 2jtg s LYS 18 CO 0.30 -2.02 1.28 -0.35 0.16 0.00 0.00 175.35 174.72 2jtg n PRO 19 N 8.59 0.78 -2.79 4.03 -0.04 -1.26 -4.03 135.00 140.28 2jtg n PRO 19 Ca 0.26 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 2jtg n PRO 19 Cb 0.47 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 2jtg n PRO 19 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jtg s VAL 20 N 0.36 4.67 0.32 0.52 0.11 -1.26 -5.06 120.40 120.07 2jtg s VAL 20 Ca 0.00 1.94 0.08 0.00 -2.93 0.00 0.00 61.98 61.08 2jtg s VAL 20 Cb 0.00 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.54 2jtg s VAL 20 CO 0.00 0.28 0.11 -0.94 -3.33 0.00 0.00 175.10 171.22 2jtg s SER 21 N 0.29 4.64 0.07 3.54 1.04 -1.26 -4.83 113.70 117.20 2jtg s SER 21 Ca 0.46 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 56.20 2jtg s SER 21 Cb -0.22 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.12 2jtg s SER 21 CO 0.27 -0.23 -0.17 -0.36 0.98 0.00 0.00 173.24 173.73 2jtg s PHE 22 N -2.41 1.44 -0.05 5.02 0.40 -1.26 -0.73 117.98 120.39 2jtg s PHE 22 Ca 0.36 -0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 56.25 2jtg s PHE 22 Cb -0.03 -0.82 0.04 0.00 0.51 0.00 0.00 43.02 42.72 2jtg s PHE 22 CO 0.22 0.10 0.10 -1.01 0.70 0.00 0.00 175.22 175.32 2jtg s HIS 23 N -1.10 -0.04 0.76 0.36 3.76 0.15 -4.97 115.29 114.21 2jtg s HIS 23 Ca 0.02 0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 55.19 2jtg s HIS 23 Cb -0.09 -0.33 0.05 0.00 1.11 0.00 0.00 32.58 33.31 2jtg s HIS 23 CO 0.03 -0.20 1.10 0.15 -0.85 0.00 0.00 174.74 174.96 2jtg s LYS 24 N 1.94 2.30 0.31 1.40 1.02 -1.26 0.13 119.74 125.58 2jtg s LYS 24 Ca 0.01 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 2jtg s LYS 24 Cb -0.12 -1.90 -0.12 0.00 -0.52 0.00 0.00 37.83 35.17 2jtg s LYS 24 CO -0.04 -1.61 1.53 1.19 -0.92 0.00 0.00 175.35 175.50 2jtg n PHE 25 N -3.37 2.76 -3.30 3.18 3.01 -0.29 -4.75 117.46 114.70 2jtg n PHE 25 Ca 0.09 0.33 -0.26 0.00 1.01 0.00 0.00 57.45 58.62 2jtg n PHE 25 Cb 0.53 -2.56 -0.02 0.00 -0.01 0.00 0.00 39.48 37.42 2jtg n PHE 25 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2jtg s PRO 26 N -0.88 3.55 -0.08 -1.08 0.04 -1.26 -4.96 135.00 130.32 2jtg s PRO 26 Ca 0.62 -0.14 0.08 0.00 0.04 0.00 0.00 61.00 61.60 2jtg s PRO 26 Cb -0.51 -2.63 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 2jtg s PRO 26 CO 0.52 0.15 0.05 1.47 0.04 0.00 0.00 177.00 179.23 2jtg n LEU 27 N -1.45 0.00 0.21 -3.56 -0.00 -1.26 -4.52 117.00 106.42 2jtg n LEU 27 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.03 2jtg n LEU 27 Cb 0.55 0.20 0.44 0.00 -0.00 0.00 0.00 43.42 44.62 2jtg n LEU 27 CO 0.49 0.20 0.78 0.71 -0.00 0.00 0.00 177.39 179.58 2jtg h THR 28 N 0.00 1.05 -3.54 1.47 1.35 -2.00 -3.35 112.91 107.90 2jtg h THR 28 Ca -0.22 -1.10 -0.73 0.00 -0.55 0.00 0.00 66.41 63.80 2jtg h THR 28 Cb 1.46 1.62 -0.31 0.00 -1.73 0.00 0.00 68.15 69.20 2jtg h THR 28 CO 0.01 0.30 -0.24 -0.60 -0.25 0.00 0.00 175.52 174.74 2jtg s ARG 29 N -4.15 2.83 0.00 4.72 3.00 -1.26 -4.96 118.95 119.13 2jtg s ARG 29 Ca -0.02 -2.26 0.00 0.00 -1.00 0.00 0.00 55.73 52.45 2jtg s ARG 29 Cb 0.14 -3.99 0.00 0.00 0.00 0.00 0.00 34.95 31.10 2jtg s ARG 29 CO 0.69 -1.21 0.00 -0.35 0.00 0.00 0.00 175.30 174.42 2jtg n PRO 30 N 4.10 0.00 -0.08 5.12 -0.04 -1.26 -3.15 135.00 139.69 2jtg n PRO 30 Ca 0.04 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.58 2jtg n PRO 30 Cb 0.41 -0.61 -0.00 0.00 -0.04 0.00 0.00 33.50 33.26 2jtg n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jtg h SER 31 N 0.00 -0.42 -0.53 3.54 4.64 -1.96 0.62 113.55 119.43 2jtg h SER 31 Ca 0.00 0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.48 2jtg h SER 31 Cb 0.00 0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 2jtg h SER 31 CO 0.00 -0.16 0.36 0.25 -0.87 0.00 0.00 176.83 176.41 2jtg h LEU 32 N -0.07 0.47 -1.87 5.97 5.85 -1.98 -0.56 115.31 123.12 2jtg h LEU 32 Ca 0.15 -0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.05 2jtg h LEU 32 Cb 0.30 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2jtg h LEU 32 CO -0.35 0.31 0.47 0.00 -0.34 0.00 0.00 178.44 178.54 2jtg h LYS 34 N 0.12 0.52 -0.95 0.00 3.64 -0.57 0.82 116.57 120.14 2jtg h LYS 34 Ca 0.32 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 2jtg h LYS 34 Cb 1.11 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.76 2jtg h LYS 34 CO -0.04 0.34 0.62 0.93 -2.27 0.00 0.00 179.45 179.03 2jtg h GLU 35 N 0.53 1.13 -0.26 1.90 5.08 -0.56 0.74 114.58 123.15 2jtg h GLU 35 Ca 0.47 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.79 2jtg h GLU 35 Cb 0.99 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2jtg h GLU 35 CO -0.21 0.75 0.18 -1.49 -1.00 0.00 0.00 179.01 177.24 2jtg h TRP 36 N 1.17 0.22 -0.98 4.33 4.06 0.61 0.14 115.95 125.49 2jtg h TRP 36 Ca 0.39 0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.47 2jtg h TRP 36 Cb 0.07 -0.07 -0.08 0.00 -1.00 0.00 0.00 29.16 28.07 2jtg h TRP 36 CO -0.00 0.13 0.62 0.93 -3.56 0.00 0.00 178.44 176.56 2jtg h GLU 37 N 0.23 0.92 -0.56 0.49 5.08 -0.56 0.52 114.58 120.70 2jtg h GLU 37 Ca 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2jtg h GLU 37 Cb 0.15 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2jtg h GLU 37 CO -0.02 0.61 0.23 0.00 -1.00 0.00 0.00 179.01 178.83 2jtg h ALA 38 N 1.55 1.36 -0.54 3.43 0.00 -0.72 0.16 119.26 124.49 2jtg h ALA 38 Ca 0.49 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.41 2jtg h ALA 38 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2jtg h ALA 38 CO -0.25 0.49 0.53 0.00 0.00 0.00 0.00 179.25 180.01 2jtg h ALA 39 N 1.46 2.32 0.00 0.00 0.00 0.27 -3.10 119.26 120.20 2jtg h ALA 39 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jtg h ALA 39 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jtg h ALA 39 CO -0.02 -0.81 -0.58 0.28 0.00 0.00 0.00 179.25 178.13 2jtg n VAL 40 N -3.81 0.89 -1.11 0.00 0.31 -0.15 -4.14 118.33 110.34 2jtg n VAL 40 Ca 0.10 0.29 -0.04 0.00 -0.01 0.00 0.00 64.34 64.69 2jtg n VAL 40 Cb 0.74 -2.01 -0.02 0.00 -0.91 0.00 0.00 33.84 31.64 2jtg n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2jtg n ARG 41 N -3.67 -0.67 -2.31 5.55 3.00 -0.14 -4.13 116.66 114.29 2jtg n ARG 41 Ca -0.08 0.46 -0.25 0.00 -0.00 0.00 0.00 57.85 57.98 2jtg n ARG 41 Cb 0.30 -4.15 0.06 0.00 0.00 0.00 0.00 32.46 28.67 2jtg n ARG 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2jtg s ARG 42 N -1.64 2.25 0.22 -0.14 6.06 -1.26 -4.98 118.95 119.46 2jtg s ARG 42 Ca 0.00 -0.40 -0.18 0.00 -2.50 0.00 0.00 55.73 52.65 2jtg s ARG 42 Cb 0.00 -2.24 0.21 0.00 0.06 0.00 0.00 34.95 32.98 2jtg s ARG 42 CO 0.00 -1.13 1.56 0.87 -2.50 0.00 0.00 175.30 174.10 2jtg h LYS 43 N -0.45 -0.05 -0.21 5.12 1.57 -2.00 -3.37 116.57 117.18 2jtg h LYS 43 Ca -0.44 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.18 2jtg h LYS 43 Cb 1.31 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 2jtg h LYS 43 CO 0.58 -0.03 -0.39 0.09 -0.57 0.00 0.00 179.45 179.13 2jtg n ASN 44 N -5.47 -2.64 -0.84 0.86 3.02 -1.26 -5.08 115.26 103.86 2jtg n ASN 44 Ca 0.08 -2.80 -0.02 0.00 -0.03 0.00 0.00 54.58 51.81 2jtg n ASN 44 Cb 0.39 1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 41.09 2jtg n ASN 44 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2jtg n PHE 45 N 1.95 0.00 -1.97 3.10 -1.74 -1.26 -4.74 117.46 112.80 2jtg n PHE 45 Ca 0.10 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.56 2jtg n PHE 45 Cb 0.63 -0.10 -0.03 0.00 1.52 0.00 0.00 39.48 41.50 2jtg n PHE 45 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2jtg s LYS 46 N 1.16 3.30 0.00 3.97 2.20 -1.26 -4.84 119.74 124.26 2jtg s LYS 46 Ca 0.11 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 2jtg s LYS 46 Cb -0.07 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.03 2jtg s LYS 46 CO 0.05 -1.90 0.46 -2.30 -0.36 0.00 0.00 175.35 171.29 2jtg n PRO 47 N 8.47 0.00 0.39 4.03 -0.02 -1.26 -2.36 135.00 144.25 2jtg n PRO 47 Ca 0.23 0.01 -0.18 0.00 -2.02 0.00 0.00 63.50 61.54 2jtg n PRO 47 Cb 0.47 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.36 2jtg n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jtg h THR 48 N 0.00 0.23 0.00 3.45 1.03 -1.96 -3.26 112.91 112.41 2jtg h THR 48 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2jtg h THR 48 Cb 0.00 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 67.32 2jtg h THR 48 CO 0.00 0.00 -0.81 0.29 -0.01 0.00 0.00 175.52 174.99 2jtg n LYS 49 N -5.53 2.17 0.23 0.00 5.02 -1.21 -4.70 118.16 114.13 2jtg n LYS 49 Ca -0.14 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.28 2jtg n LYS 49 Cb 0.41 -0.90 0.25 0.00 -0.02 0.00 0.00 35.03 34.77 2jtg n LYS 49 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2jtg h TYR 50 N 0.00 0.00 0.00 2.13 0.05 -1.68 -3.42 116.97 114.05 2jtg h TYR 50 Ca 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 2jtg h TYR 50 Cb 0.39 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.18 2jtg h TYR 50 CO 0.00 0.00 0.78 -1.13 -1.05 0.00 0.00 178.16 176.76 2jtg n SER 51 N -3.09 0.04 -3.62 3.88 3.41 -1.23 -4.31 113.62 108.70 2jtg n SER 51 Ca 0.04 -1.46 -0.04 0.00 -0.26 0.00 0.00 58.87 57.15 2jtg n SER 51 Cb 0.50 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 2jtg n SER 51 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jtg s SER 52 N 4.28 -0.11 0.07 4.04 1.04 -1.26 -1.13 113.70 120.63 2jtg s SER 52 Ca 0.21 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.72 2jtg s SER 52 Cb 0.05 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 2jtg s SER 52 CO 0.11 -0.15 -0.07 -0.63 0.98 0.00 0.00 173.24 173.48 2jtg s ILE 53 N -1.71 0.60 0.09 -1.02 -1.09 0.35 -2.38 121.20 116.04 2jtg s ILE 53 Ca 0.08 -1.55 0.05 0.00 -2.23 0.00 0.00 60.65 57.00 2jtg s ILE 53 Cb -0.01 -1.20 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 2jtg s ILE 53 CO -0.05 -0.66 -0.00 0.00 -1.23 0.00 0.00 174.94 173.00 2jtg h SER 55 N 3.40 0.47 -1.33 0.00 0.02 -1.30 -2.83 113.55 111.99 2jtg h SER 55 Ca -0.48 0.03 0.38 0.00 -0.84 0.00 0.00 61.79 60.89 2jtg h SER 55 Cb 1.17 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 2jtg h SER 55 CO 0.59 0.23 1.26 -0.62 -1.14 0.00 0.00 176.83 177.15 2jtg n GLU 56 N -4.51 0.01 -0.08 3.45 1.02 -1.26 0.82 120.64 120.09 2jtg n GLU 56 Ca 0.17 1.01 -0.11 0.00 -0.02 0.00 0.00 57.16 58.21 2jtg n GLU 56 Cb 0.56 -2.46 -0.15 0.00 -0.02 0.00 0.00 31.44 29.38 2jtg n GLU 56 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jtg n HIS 57 N -3.42 0.27 -1.41 -0.32 8.25 -1.07 -4.97 115.22 112.56 2jtg n HIS 57 Ca 0.30 0.09 -0.30 0.00 -0.26 0.00 0.00 57.72 57.55 2jtg n HIS 57 Cb 1.66 -1.05 0.09 0.00 1.12 0.00 0.00 29.99 31.81 2jtg n HIS 57 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2jtg s PHE 58 N -2.52 2.73 0.25 4.41 0.08 0.24 -3.26 117.98 119.91 2jtg s PHE 58 Ca -0.11 1.33 -0.28 0.00 0.12 0.00 0.00 56.93 57.99 2jtg s PHE 58 Cb 0.07 -3.05 -0.09 0.00 -0.57 0.00 0.00 43.02 39.37 2jtg s PHE 58 CO 0.81 -1.78 0.91 0.95 -0.10 0.00 0.00 175.22 176.01 2jtg s THR 59 N -3.02 4.16 0.25 0.64 -4.23 -1.26 -4.96 115.64 107.23 2jtg s THR 59 Ca 0.61 1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 63.03 2jtg s THR 59 Cb -0.16 -4.21 0.23 0.00 1.34 0.00 0.00 72.50 69.71 2jtg s THR 59 CO 0.55 0.40 1.84 -0.65 -0.54 0.00 0.00 174.62 176.23 2jtg h PRO 60 N 3.90 0.92 0.00 3.99 0.11 -1.95 -1.43 132.00 137.53 2jtg h PRO 60 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jtg h PRO 60 Cb 1.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2jtg h PRO 60 CO 0.67 0.61 0.00 -3.47 -0.21 0.00 0.00 178.00 175.59 2jtg n ASP 61 N -4.65 0.00 -1.95 -2.05 -0.08 -1.26 -3.14 116.55 103.43 2jtg n ASP 61 Ca 0.14 0.40 -0.01 0.00 -1.51 0.00 0.00 54.79 53.81 2jtg n ASP 61 Cb 0.25 -0.46 0.33 0.00 2.34 0.00 0.00 41.12 43.58 2jtg n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jtg n PHE 63 N 0.14 3.01 -1.19 0.00 3.72 -1.19 -4.73 117.46 117.21 2jtg n PHE 63 Ca 0.35 -2.76 -0.19 0.00 -0.05 0.00 0.00 57.45 54.80 2jtg n PHE 63 Cb 1.30 -1.36 -0.08 0.00 -0.94 0.00 0.00 39.48 38.41 2jtg n PHE 63 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2jtg n LYS 64 N -0.68 2.11 -1.30 -1.08 0.00 -1.26 -4.43 118.16 111.51 2jtg n LYS 64 Ca 0.58 -1.67 -0.18 0.00 -0.00 0.00 0.00 58.31 57.04 2jtg n LYS 64 Cb 0.55 -1.96 0.12 0.00 -0.00 0.00 0.00 35.03 33.74 2jtg n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jtg n ARG 65 N 1.36 2.55 0.09 -1.58 3.00 -1.26 -4.61 116.66 116.20 2jtg n ARG 65 Ca 0.41 -3.48 -0.07 0.00 -0.01 0.00 0.00 57.85 54.71 2jtg n ARG 65 Cb 0.67 -2.08 -0.01 0.00 0.00 0.00 0.00 32.46 31.04 2jtg n ARG 65 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2jtg h GLU 66 N 1.56 0.09 -7.21 5.56 4.39 -1.77 -3.45 114.58 113.74 2jtg h GLU 66 Ca 0.39 -0.11 -0.40 0.00 0.34 0.00 0.00 59.36 59.57 2jtg h GLU 66 Cb 1.53 0.03 0.20 0.00 -0.10 0.00 0.00 28.75 30.41 2jtg h GLU 66 CO 0.83 0.90 0.01 0.00 -1.16 0.00 0.00 179.01 179.59 2jtg h ASN 68 N -2.95 -0.19 -1.23 0.00 -0.73 -2.00 -3.35 115.58 105.13 2jtg h ASN 68 Ca -0.46 0.01 -0.56 0.00 1.87 0.00 0.00 56.30 57.15 2jtg h ASN 68 Cb 1.32 0.05 -0.21 0.00 0.27 0.00 0.00 38.32 39.75 2jtg h ASN 68 CO 0.33 0.08 0.62 -0.46 -0.37 0.00 0.00 177.43 177.64 2jtg n ASN 69 N -3.84 6.87 -3.75 1.15 6.94 -1.26 -4.84 115.26 116.52 2jtg n ASN 69 Ca -0.03 -3.41 -0.25 0.00 -0.02 0.00 0.00 54.58 50.87 2jtg n ASN 69 Cb 0.09 -1.14 -0.17 0.00 -2.36 0.00 0.00 39.78 36.19 2jtg n ASN 69 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2jtg s LYS 70 N -2.55 0.61 0.15 -3.83 -0.14 -1.26 -5.13 119.74 107.60 2jtg s LYS 70 Ca 0.54 -0.11 -0.11 0.00 -1.36 0.00 0.00 55.97 54.93 2jtg s LYS 70 Cb 0.39 -1.46 0.00 0.00 -1.68 0.00 0.00 37.83 35.08 2jtg s LYS 70 CO -0.23 -0.45 0.32 -0.51 -0.76 0.00 0.00 175.35 173.72 2jtg s LEU 71 N 1.93 0.84 0.00 3.17 1.43 -1.26 -4.34 118.68 120.44 2jtg s LEU 71 Ca 0.03 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2jtg s LEU 71 Cb -0.14 1.38 0.00 0.00 0.03 0.00 0.00 46.19 47.46 2jtg s LEU 71 CO -0.07 -0.89 0.00 0.00 0.23 0.00 0.00 176.35 175.62 2jtg n LEU 72 N -0.21 0.00 0.00 1.79 -0.00 -1.26 -4.78 117.00 112.54 2jtg n LEU 72 Ca -0.10 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.71 2jtg n LEU 72 Cb 0.63 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 44.22 2jtg n LEU 72 CO 0.22 0.00 0.37 0.29 -0.00 0.00 0.00 177.39 178.27 2jtg n LYS 73 N 0.00 -2.80 -0.39 1.47 5.02 -1.26 -4.58 118.16 115.63 2jtg n LYS 73 Ca 0.00 -1.12 0.38 0.00 -2.02 0.00 0.00 58.31 55.55 2jtg n LYS 73 Cb 0.00 -1.13 0.76 0.00 -0.02 0.00 0.00 35.03 34.63 2jtg n LYS 73 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2jtg h GLU 74 N 0.00 0.01 -0.40 1.97 5.08 -2.00 0.99 114.58 120.24 2jtg h GLU 74 Ca -0.27 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 2jtg h GLU 74 Cb 0.85 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2jtg h GLU 74 CO 0.17 0.01 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.17 2jtg h ASN 75 N 0.01 0.80 -0.95 1.42 2.35 -1.96 -3.45 115.58 113.80 2jtg h ASN 75 Ca 0.63 -0.37 -0.71 0.00 -0.55 0.00 0.00 56.30 55.30 2jtg h ASN 75 Cb 2.50 -0.22 0.07 0.00 0.05 0.00 0.00 38.32 40.72 2jtg h ASN 75 CO -0.02 0.99 -0.17 0.00 -1.65 0.00 0.00 177.43 176.58 2jtg n ALA 76 N -2.46 -3.23 -3.64 -0.83 0.00 0.34 -4.97 120.51 105.73 2jtg n ALA 76 Ca -0.01 0.51 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 2jtg n ALA 76 Cb 0.37 -1.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 2jtg n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jtg s VAL 77 N -0.38 0.00 -0.05 0.00 1.01 -1.26 -4.91 120.40 114.81 2jtg s VAL 77 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2jtg s VAL 77 Cb -1.08 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 34.35 2jtg s VAL 77 CO 0.54 0.00 1.48 -0.81 0.00 0.00 0.00 175.10 176.31 2jtg n PRO 78 N 1.73 1.12 0.00 2.72 -0.04 -1.26 -4.08 135.00 135.20 2jtg n PRO 78 Ca -0.11 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 2jtg n PRO 78 Cb 0.57 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2jtg n PRO 78 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2jtg n THR 79 N 0.76 0.00 -0.37 0.52 5.66 -1.24 -0.72 114.28 118.90 2jtg n THR 79 Ca 0.05 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2jtg n THR 79 Cb 0.56 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.40 2jtg n THR 79 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2jtg h ILE 80 N 0.00 0.02 0.00 1.09 2.04 -1.86 0.33 117.51 119.12 2jtg h ILE 80 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.70 2jtg h ILE 80 Cb 0.00 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 2jtg h ILE 80 CO 0.00 0.00 -0.78 -0.26 0.00 0.00 0.00 178.15 177.11 2jtg h PHE 81 N -0.01 0.00 -2.99 1.37 -1.00 -1.19 -3.44 116.94 109.68 2jtg h PHE 81 Ca 0.36 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.59 2jtg h PHE 81 Cb 0.61 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 2jtg h PHE 81 CO -0.84 0.78 0.79 -1.17 -1.61 0.00 0.00 178.31 176.25 2jtg s LEU 82 N -6.63 4.27 0.08 1.54 1.98 0.12 -4.89 118.68 115.14 2jtg s LEU 82 Ca 0.02 1.89 -0.30 0.00 -2.89 0.00 0.00 54.13 52.86 2jtg s LEU 82 Cb 0.09 -3.55 -0.18 0.00 0.66 0.00 0.00 46.19 43.21 2jtg s LEU 82 CO 0.79 -0.67 1.67 -0.33 -1.89 0.00 0.00 176.35 175.92 2jtg h GLU 83 N 7.77 -0.57 -6.68 1.98 3.07 -1.86 -3.45 114.58 114.83 2jtg h GLU 83 Ca -0.34 0.04 -0.34 0.00 -0.50 0.00 0.00 59.36 58.22 2jtg h GLU 83 Cb 1.16 0.13 0.19 0.00 -0.84 0.00 0.00 28.75 29.39 2jtg h GLU 83 CO 0.91 -0.38 -0.24 -0.11 -1.40 0.00 0.00 179.01 177.78 2jtg n LEU 84 N -5.35 -0.97 -4.76 1.33 0.00 -1.26 -5.01 117.00 100.98 2jtg n LEU 84 Ca -0.11 -0.59 -0.33 0.00 0.00 0.00 0.00 56.01 54.97 2jtg n LEU 84 Cb 0.25 -0.97 -0.07 0.00 0.00 0.00 0.00 43.42 42.63 2jtg n LEU 84 CO 0.36 -3.96 -0.26 -0.69 0.00 0.00 0.00 177.39 172.84 2jtg s VAL 85 N -2.15 4.65 -0.83 1.96 1.01 -1.26 -4.98 120.40 118.81 2jtg s VAL 85 Ca 0.58 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 2jtg s VAL 85 Cb -0.12 -3.09 -0.16 0.00 0.00 0.00 0.00 36.38 33.01 2jtg s VAL 85 CO 0.52 0.41 2.38 -2.65 0.00 0.00 0.00 175.10 175.75 2jtg n PRO 86 N 1.40 0.49 -0.46 2.72 -0.02 -1.26 -5.14 135.00 132.73 2jtg n PRO 86 Ca -0.14 -0.94 0.00 0.00 -2.02 0.00 0.00 63.50 60.40 2jtg n PRO 86 Cb 0.53 -3.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.34 2jtg n PRO 86 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35